CrystFEL - Data processing for serial crystallography

Age	Commit message (Collapse)	Author
2013-10-09	Integration verbosity fixes	Thomas White

2013-10-09	Set matrix components to zero before calculating bg matrix integrals	Thomas White

2013-10-08	Read scalar values from HDF5 files as 0d arrays	Thomas White
	Historically, scalar values have been represented in our data files as 1d arrays with size=1. Now they are (more correctly) written as 0d arrays. This change allows CrystFEL to read both.
2013-09-13	Monoclinic changes for MOSFLM	Thomas White

2013-09-13	Stop PR when mean change in partiality is small	Thomas White

2013-09-13	Fix incorrect handling of monoclinic C cells	Thomas White

2013-09-13	Add INDEXING_SIMULATION for streams made by partial_sim	Thomas White

2013-09-05	Remove vestigial get_wavelength()	Thomas White

2013-09-05	configure: check for curses, and compile even if it's not available	Thomas White

2013-08-20	Re-order peak tests	Thomas White
	The old version led to a curious situation where the number of saturated peaks could be much greater than the number of peaks, even without --no-use-saturated.
2013-08-12	Improve show_matrix_eqn()	Thomas White

2013-08-08	Add show_matrix()	Thomas White

2013-08-08	Show determinant when complaining about a non-integer matrix result	Thomas White

2013-07-31	Set C=0 for gsl_cblas_dgemm()	Thomas White

2013-07-31	Revert refinement step if too many reflections are lost	Thomas White

2013-07-24	Iteration over reflection list should include other reflections with same ↵	Thomas White
	asymmetric indices This fixes a >2 year old bug in the reflection list, and a bug in tests/list_check.c which allowed it to go undetected for so long. The main situation where it would have caused problems is when asymmetric_indices() was called on a reflection list containing symmetrically equivalent reflections. The only core CrystFEL program which does this is partialator. compare_hkl uses asymmetric_indices(), but the reflections are already guaranteed to be asymmetric by that point (because check_list_symmetry() has been called).
2013-07-24	update_partialities(): Scratch list no longer needed	Thomas White

2013-07-05	Fix uninitialised rval for XDS	Thomas White

2013-07-05	Fix uninitialised rval for GrainSpotter	Thomas White

2013-07-04	Fix pointer type	Thomas White

2013-07-04	Mark estimate_resolution() and estimate_mosaicity() as unused	Thomas White

2013-07-04	Update docs	Thomas White

2013-06-28	Don't check max_adu during gradient search if --use-saturated is given	Thomas White

2013-06-26	Track number of rejected saturated peaks	Thomas White

2013-06-25	Restore sigma calculation with --integration=rings	Thomas White

2013-06-21	Reduce verbosity	Thomas White

2013-06-21	Use tentative_intensity() (with fitted background) for "rings"	Thomas White

2013-06-21	Peak integrals are per box	Thomas White

2013-06-21	Convert angle to degrees for GrainSpotter	Thomas White

2013-06-20	show_peak_box() and show_reference_profile(): refresh() before getch()	Thomas White

2013-06-10	indexamajig: Fix default integration method	Thomas White

2013-06-10	Add comment	Thomas White

2013-06-06	Update docs	Thomas White

2013-06-02	Fix RG delta output, and write only if actually calibrated	Thomas White

2013-06-02	Refine rigid group positions and orientations	Thomas White

2013-06-02	Fix const for MOSFLM space group	Thomas White

2013-06-02	Rigid group stuff	Thomas White

2013-06-01	Fix multiple small memory leaks	Thomas White

2013-06-01	Fix lying comment	Thomas White

2013-06-01	Extreme fussiness	Thomas White

2013-06-01	Fix memory leaks	Thomas White

2013-06-01	Calculate reference profile for all pixels in peak box	Thomas White
	This makes no difference to the actual profile fitting, which only uses the peak region. It just makes it easier to see if the reference profile is sensible or not.
2013-06-01	More space in reference profile display	Thomas White

2013-06-01	prof2d: Use the same mask as rings	Thomas White

2013-06-01	Don't update integrated location from centroid after integration	Thomas White

2013-06-01	Complain if an HDF5 field doesn't exist	Thomas White

2013-06-01	Fix rounding of pixel coordinates	Thomas White

2013-05-31	Remove duplicate (and incorrect) box boundary check	Thomas White

2013-05-31	Clear screen before showing new peak box or reference profile	Thomas White

2013-05-31	Initialise reference_den to zero	Thomas White